Information card for entry 4066199

Structure parameters

• Formula: C26 H46 N2 O2 P2 Pd
• Calculated formula: C26 H46 N2 O2 P2 Pd
• SMILES: C(#CC(=O)N1CCCC1)[Pd]([P](CC)(CC)CC)(C#CC(=O)N1CCCC1)[P](CC)(CC)CC
• Title of publication: Bis(allenylidene) Complexes of Palladium and Platinum†
• Authors of publication: Kessler, Florian; Weibert, Bernhard; Fischer, Helmut
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5154
• a: 10.226 ± 0.002 Å
• b: 7.2469 ± 0.0014 Å
• c: 20.575 ± 0.006 Å
• α: 90°
• β: 113.33 ± 0.03°
• γ: 90°
• Cell volume: 1400.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No